Study on inclusion complexation between plant growth regulator 6-benzylaminopurine and beta-cyclodextrin: Preparation, characterization and molecular modeling

文献类型: 外文期刊

第一作者: Ge, Xia

作者: Ge, Xia;He, Jiang;Yang, Ying;Qi, Fengming;Lu, Ruihua;Huang, Lizhen;Yao, Xiaojun;Huang, Zheng

作者机构:

关键词: 6-Benzylaminopurine;beta-Cyclodextrin;Inclusion complex;Molecular modeling

期刊名称:JOURNAL OF MOLECULAR STRUCTURE ( 影响因子:3.196; 五年影响因子:2.618 )

ISSN: 0022-2860

年卷期: 2011 年 994 卷 1-3 期

页码:

收录情况: SCI

摘要: An inclusion complex between the plant growth regulator 6-benzylaminopurine (6-BA) and beta-cyclodextrin (beta-CD) was prepared. A 1:1 host-guest stoichiometry was conformed by elemental analysis and Job's plot. From phase solubility diagram, a calculated apparent stability constant was 259.49 L/mol. The obtained complex was found to significantly improve the water solubility of 6-BA, and there was a 4:1-fold increase in the presence of 12 mmol/L beta-CD as compared with the free 6-BA. Thermoanalysis, NMR and IR spectra were applied to characterize the complex. (1)H NMR and ROESY results indicated that the benzene ring of 6-BA was included into the beta-CD cavity, which was in agreement with the most predominant configuration optimized by molecular modeling. (C) 2011 Elsevier B.V. All rights reserved.

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